CID 252163

6-nitroquinazoline-2,4-diamine

Structural Information

Molecular Formula
C8H7N5O2
SMILES
C1=CC2=C(C=C1[N+](=O)[O-])C(=NC(=N2)N)N
InChI
InChI=1S/C8H7N5O2/c9-7-5-3-4(13(14)15)1-2-6(5)11-8(10)12-7/h1-3H,(H4,9,10,11,12)
InChIKey
YZMJNZRTRWPJFY-UHFFFAOYSA-N
Compound name
6-nitroquinazoline-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

41
Patents

205.05997 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.067246 136.6
[M+Na]+ 228.049188 145.4
[M-H]- 204.052694 138.7
[M+NH4]+ 223.093793 152.4
[M+K]+ 244.023128 138.1
[M+H-H2O]+ 188.057230 133.6
[M+HCOO]- 250.058171 160.7
[M+CH3COO]- 264.073821 184.3
[M+Na-2H]- 226.034636 147.3
[M]+ 205.05942142 132.6
[M]- 205.06051858 132.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe